1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(3-chloranyl-4-fluoranyl-phenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(3-chloranyl-4-fluoranyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(3-chloro-4-fluoro-phenoxy)ethanone CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-(3-chloro-4-fluorophenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(3-chloro-4-fluorophenoxy)ethanone Traditional Name: 2-(3-chloro-4-fluoro-phenoxy)-1-(4-piperonyloylpiperazino)ethanone Formula: C20H18ClFN2O5 MolecularWeight: 420.818723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC(=C(C=C2)F)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC(=C(C=C2)F)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClFN2O5/c21-15-10-14(2-3-16(15)22)27-11-19(25)23-5-7-24(8-6-23)20(26)13-1-4-17-18(9-13)29-12-28-17/h1-4,9-10H,5-8,11-12H2